N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C18H18N2O3S — CID 110729058

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2o1
InChIInChI=1S/C18H18N2O3S/c1-12-19-17-9-7-15(11-18(17)23-12)20-24(21,22)16-8-6-13-4-2-3-5-14(13)10-16/h6-11,20H,2-5H2,1H3
InChIKeyHAJIPKGHGKMVNU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.82
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 110729058) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID110729058
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2o1
InChIInChI=1S/C18H18N2O3S/c1-12-19-17-9-7-15(11-18(17)23-12)20-24(21,22)16-8-6-13-4-2-3-5-14(13)10-16/h6-11,20H,2-5H2,1H3
InChIKeyHAJIPKGHGKMVNU-UHFFFAOYSA-N
XLogP3.82
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)-4-propylbenzenesulfonamide
CID 59018250
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-2-methyl-1,3-benzoxazole-6-sulfonamide
CID 167904396
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110728739
methyl 4-[(2-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoate
CID 110759890
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729056
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760583
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110734864
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729090
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 110729058) is N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1nc2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is HAJIPKGHGKMVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-19-17-9-7-15(11-18(17)23-12)20-24(21,22)16-8-6-13-4-2-3-5-14(13)10-16/h6-11,20H,2-5H2,1H3.
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 110729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).